AC1LCN32
7-[2-(4,6-dimethylpyrimidin-2-yl)sulfanylethyl]-1,3-dimethyl-8-piperidin-1-ylpurine-2,6-dione
Also Known As: BAS 07401899|AB00424232-09|SR-01000365434-1|7-[2-(4,6-Dimethyl-pyrimidin-2-ylsulfanyl)-ethyl]-1,3-dimethyl-8-piperidin-1-yl-3,7-dihydro-purine-2,6-dione|7-[2-(4,6-dimethylpyrimidin-2-yl)sulfanylethyl]-1,3-dimethyl-8-piperidin-1-ylpurine-2,6-dione|7-[2-(4,6-dimethylpyrimidin-2-ylthio)ethyl]-1,3-dimethyl-8-piperidyl-1,3,7-tri hydropurine-2,6-dione|7-{2-[(4,6-dimethylpyrimidin-2-yl)sulfanyl]ethyl}-1,3-dimethyl-8-(piperidin-1-yl)-2,3,6,7-tetrahydro-1H-purine-2,6-dione
| Molecular Formula | C20H27N7O2S |
|---|---|
| Molecular Weight | 429.1947 g/mol |
| LogP | 2.4 |
| Topological Polar Surface Area | 113.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 5 |
| Exact Mass | 429.1947 |
| Monoisotopic Mass | 429.1947 |
| Heavy Atoms | 30 |
| Complexity | 637.0 |
Chemical Identifiers
| CAS Number | 674357-96-1 |
|---|---|
| SMILES | CC1=CC(=NC(=N1)SCCN2C3=C(N=C2N4CCCCC4)N(C(=O)N(C3=O)C)C)C |
| InChIKey | QWNVYJYBUQZEPK-UHFFFAOYSA-N |
Product Overview
AC1LCN32 (CAS 674357-96-1), with molecular formula C20H27N7O2S and molecular weight 429.1947 g/mol. IUPAC: 7-[2-(4,6-dimethylpyrimidin-2-yl)sulfanylethyl]-1,3-dimethyl-8-piperidin-1-ylpurine-2,6-dione.